| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042661
BDB042661
|
US12459899, Example 231
O=c1[nH]c(CCCN2C3CCC2CN(c2ccc(F)cn2)C3)cc2ncccc12
|
C22H24FN5O 393.466000 |
GSRUKEVQZHYNCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784138; PubChem:CID156318347
|
Local ready
Direct docking supported
|
|
E3L042662
BDB042662
|
US12459899, Example 232
N#Cc1ccc(N2CC3CCC(C2)N3CCCc2cc3ncccc3c(=O)[nH]2)nc1
|
C23H24N6O 400.486000 |
OPRKLYKMBITSTI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784139; PubChem:CID156318320
|
Local ready
Direct docking supported
|
|
E3L042663
BDB042663
|
US12459899, Example 233
O=c1[nH]c(CCCN2C3CCC2CN(c2ccc(F)nc2)C3)cc2ncccc12
|
C22H24FN5O 393.466000 |
JLGGDTXKLJKIHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784140; PubChem:CID156318091
|
Local ready
Direct docking supported
|
|
E3L042664
BDB042664
|
US12459899, Example 234
N#Cc1ccc(C2=CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cn1
|
C22H21N5O 371.444000 |
TUYIFZUULDMMNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784141; PubChem:CID156318393
|
Local ready
Direct docking supported
|
|
E3L042665
BDB042665
|
US12459899, Example 235
N#Cc1ccc(C2=CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)nc1
|
C22H21N5O 371.444000 |
MOWICTWRJDLPIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784142; PubChem:CID156318029
|
Local ready
Direct docking supported
|
|
E3L042666
BDB042666
|
US12459899, Example 236
O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)cc2ncccc12
|
C22H22FN3O 363.436000 |
XKZYFSXBHLKVST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784143; PubChem:CID156317948
|
Local ready
Direct docking supported
|
|
E3L042667
BDB042667
|
US12459899, Example 237
O=c1[nH]c(CCCN2CC=C(c3ccnc(F)c3)CC2)cc2ncccc12
|
C21H21FN4O 364.424000 |
CAQOBNNWDCSPGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784144; PubChem:CID156319091
|
Local ready
Direct docking supported
|
|
E3L042668
BDB042668
|
US12459899, Example 238
O=c1[nH]c(CCCN2CC=C(c3cccc(F)c3)CC2)cc2ncccc12
|
C22H22FN3O 363.436000 |
CPHAAIJMIREUBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784145; PubChem:CID156318277
|
Local ready
Direct docking supported
|
|
E3L042669
BDB042669
|
US12459899, Example 239
N#Cc1ccc(C2=CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cc1
|
C23H22N4O 370.456000 |
IUQKESJFDKRUKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784146; PubChem:CID156318145
|
Local ready
Direct docking supported
|
|
E3L042670
BDB042670
|
US12459899, Example 240
O=c1[nH]c(CCCN2CC=C(c3ccncc3)CC2)cc2ncccc12
|
C21H22N4O 346.434000 |
APTRNZFFXPOMAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784147; PubChem:CID156318271
|
Local ready
Direct docking supported
|
|
E3L042671
BDB042671
|
US12459899, Example 243
N#Cc1ccc(N2CCN(C(=O)CCc3cc4ncccc4c(=O)[nH]3)CC2)cn1
|
C21H20N6O2 388.431000 |
CVWXVBAOLOBKQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784150; PubChem:CID156317986
|
Local ready
Direct docking supported
|
|
E3L042672
BDB042672
|
US12459899, Example 244
O=C(CCc1cc2ncccc2c(=O)[nH]1)N1CC=C(c2ccc(F)cc2)CC1
|
C22H20FN3O2 377.419000 |
ISMOZBHMSKZQSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784151; PubChem:CID156318302
|
Local ready
Direct docking supported
|
|
E3L042673
BDB042673
|
US12459899, Example 245
N#Cc1ccc(C2=CCN(C(=O)CCc3cc4ncccc4c(=O)[nH]3)CC2)cc1
|
C23H20N4O2 384.439000 |
NNQWWSNVMYKHOK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784152; PubChem:CID156319219
|
Local ready
Direct docking supported
|
|
E3L042674
BDB042674
|
US12459899, Example 246
N#Cc1ccc(N2CC3CCC(C2)N3C(=O)CCc2cc3ncccc3c(=O)[nH]2)cc1
|
C24H23N5O2 413.481000 |
OKXJEKNDLPKVTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784153; PubChem:CID156333784
|
Local ready
Direct docking supported
|
|
E3L042675
BDB042675
|
US12459899, Example 247
N#Cc1ccc(NC2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C24H25FN4O 404.489000 |
NSOBRMNMGDYCOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784154; PubChem:CID156318328
|
Local ready
Direct docking supported
|
|
E3L042676
BDB042676
|
US12459899, Example 248
N#Cc1ccc(NC2CCN(CCCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cn1
|
C23H24FN5O 405.477000 |
WZZAFJIQQYFLLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784155; PubChem:CID156318282
|
Local ready
Direct docking supported
|
|
E3L042677
BDB042677
|
US12459899, Example 249
N#Cc1ccc(NC2CCN(CCCc3cc4ccc(F)cc4c(=O)[nH]3)CC2)cc1
|
C24H25FN4O 404.489000 |
BMYNYCXCDCHORE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784156; PubChem:CID156317919
|
Local ready
Direct docking supported
|
|
E3L042678
BDB042678
|
US12459899, Example 250
N#Cc1ccc(NC2CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cc1
|
C23H25N5O 387.487000 |
NDHXLAKZPPCVJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784157; PubChem:CID156319012
|
Local ready
Direct docking supported
|
|
E3L042679
BDB042679
|
US12459899, Example 251
N#Cc1ccc(NC2CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cn1
|
C22H24N6O 388.475000 |
FGEYMRCXSJVCDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784158; PubChem:CID156317943
|
Local ready
Direct docking supported
|
|
E3L042680
BDB042680
|
US12459899, Example 252
COC(=O)c1ccc(NC2CCN(CCCc3cc4ncccc4c(=O)[nH]3)CC2)cc1
|
C24H28N4O3 420.513000 |
UDCPOPGQORLDSZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784159; PubChem:CID156318253
|
Local ready
Direct docking supported
|